N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C23H25F4N3O3 — CID 170720214

About N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720214) has the molecular formula C23H25F4N3O3 and a molecular weight of 467.46 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720214
• Molecular Formula: C23H25F4N3O3
• Molecular Weight: 467.46 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(Nc1ccc(OCC2CC3CC3C2)c(F)c1)c1nc(N2CCCC2)oc1CC(F)(F)F
• InChI: InChI=1S/C23H25F4N3O3/c24-17-10-16(3-4-18(17)32-12-13-7-14-9-15(14)8-13)28-21(31)20-19(11-23(25,26)27)33-22(29-20)30-5-1-2-6-30/h3-4,10,13-15H,1-2,5-9,11-12H2,(H,28,31)
• InChIKey: ZPRZXVKOUAFIKJ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.46
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720214) is N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(OCC2CC3CC3C2)c(F)c1)c1nc(N2CCCC2)oc1CC(F)(F)F.

What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is ZPRZXVKOUAFIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O3/c24-17-10-16(3-4-18(17)32-12-13-7-14-9-15(14)8-13)28-21(31)20-19(11-23(25,26)27)33-22(29-20)30-5-1-2-6-30/h3-4,10,13-15H,1-2,5-9,11-12H2,(H,28,31).

What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).